SCHEMBL28600756

SCHEMBL28600756

Cc1ccc2c(=O)c(C(C)C)coc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25442218 0.82 CYP11B1 (0.48) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL28600768 0.82 MAPT (0.44) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL28988626 0.80 ALDH1A1 (0.36) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7600910 0.79 MAPT (0.50) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL13917260 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EUSP2SLC6A2
SCHEMBL28596598 0.78 PTPN1 (0.46) ALDH1A1USP2TSHRCYP3A4CYP2D6
SCHEMBL28988609 0.78 PTPN1 (0.59) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL11974293 0.77 MAOB (0.51) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL13680763 0.76 MAPT (0.44) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL17876375 0.76 MAPT (0.47) MAPTSMN1; SMN2ALOX15KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974825-B Method for preparing 3-substituted chromanone by metal-free catalytic hydrogenation 中国科学院化学研究所 2024-03-05 — — CN disclosed
CN-115974825-A Method for preparing 3-substituted chromanone through metal-free catalytic hydrogenation 中国科学院化学研究所 2023-04-18 — — CN disclosed
CN-112898259-B Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation 中国科学院化学研究所 2022-05-17 — — CN disclosed
CN-112898259-A Method for preparing 3-substituted chromanone through nonmetal catalytic hydrogenation 中国科学院化学研究所 2021-06-04 — — CN disclosed
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